Butanoic acid, 3-methyl-, 3-methylbutyl ester
- Formula: C10H20O2
- Molecular weight: 172.2646
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: XINCECQTMHSORG-UHFFFAOYSA-N
- CAS Registry Number: 659-70-1
- Chemical structure:
This structure is also available as a 2d Mol file
- Other names: Isovaleric acid, isopentyl ester; iso-Amyl isovalerate; Apple oil; Isoamyl valerianate; Isopentyl isovalerate; Isopentyl 3-methylbutyrate; Solusterol; 3-Methylbutyl 3-methylbutyrate; Apple essence; 3-methylbutyl 3-methylbutanoate; Isopentyl isopentanoate; 3-Methylbutyl isovalerate; Isoamyl 3-methylbutanoate; Isoamyl 3-methylbutyrate; Isopentyl alcohol, isovalerate; NSC 6565; Isovaleric acid, 3-methylbutyl ester; Isopentyl 3-methylbutanoate
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- Other data available:
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Phase change data
Go To: Top, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
|Tboil||463.6||K||N/A||Weast and Grasselli, 1989||BS|
|Tboil||465.85||K||N/A||Lecat, 1943||Uncertainty assigned by TRC = 0.3 K; TRC|
|Tboil||466.7||K||N/A||Lecat, 1927||Uncertainty assigned by TRC = 0.5 K; TRC|
|Tboil||467.15||K||N/A||Kahlbaum, 1884||Uncertainty assigned by TRC = 1.5 K; TRC|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|46.4||356.||A||Stephenson and Malanowski, 1987||Based on data from 341. - 479. K.; AC|
|47.2||315.||N/A||Stull, 1947||Based on data from 300. - 467. K.; AC|
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
|300. - 467.||4.79541||2131.904||-22.101||Stull, 1947||Coefficents calculated by NIST from author's data.|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||Japan AIST/NIMC Database- Spectrum MS-NW-5720|
|NIST MS number||232392|
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Lecat, M., Azeotropes of Ethyl Urethane and other Azeotropes, C. R. Hebd. Seances Acad. Sci., 1943, 217, 273. [all data]
Lecat, M., New binary azeotropes: 6th list, Ann. Soc. Sci. Bruxelles, Ser. B, 1927, 47, 63-71. [all data]
Kahlbaum, G.W.A., The dependence of Boiling Temperature on Air Pressure, Ber. Dtsch. Chem. Ges., 1884, 17, 1245. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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